Bethe-Salpeter

Header

In this tutorial

subheader

BSE Tutorials at present:

• SiH_4

• Fantastic dimension

• LiF

• you Hydrogen

• GaSb (SOC)

• hexagonal BN (on slides only)

The material

Bulk hexagonal BN [1] hexagonal lattice Two atoms per cell (16 electrons) Lattice constant a = 4.72 [a.u.] c/a= 2.58 Plane waves cutoff 40 Rydberg

Calculate screening

A key ingredient in the construction of the BS kernel is the screened electron-electron interaction W which is commonly evaluated in the static approximation. yambo -b -F 05_W.in

Steps:

-Calculate screening

-Calculate matrix elements

-Diagonalize Matrix and calculate spectrum

-Visualize/Analyze excitons (with ypp)

-How to Converge

-How to work with SOC